▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pd(SeBr3)2 | ICSD | 405774 | P-1 (2) | ✔ | 9 | 72 | 1 | 1.2955 | 1.324 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiSiNO | ICSD | 34106 | Pca2_1 (29) | ✗ | 16 | 72 | 1 | 5.3934 | 5.555 | 0.000 | (0;000) | ✗ | 15/02/17 |
TeO2 | COD | 1520934 | P2_12_12_1 (19) | ✗ | 12 | 72 | 3 | 3.0222 | 3.190 | 0.000 | (0;000) | ✗ | 15/02/17 |
RbZn4As3 | ICSD | 262038 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.0 | 0.021 | 0.003 | (0;001) | ✗ | 07/04/17 |
TcCl3 | COD | 4329156 | C2/m (12) | ✔ | 8 | 72 | 2 | 0.0 | 0.014 | 1.000 | (1;000) | ✗ | 22/03/17 |
RbZn4P3 | ICSD | 262039 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.1514 | 0.151 | 0.000 | (0;000) | ✗ | 07/04/17 |
Be(HO)2 | COD | 9014803 | P2_12_12_1 (19) | ✗ | 20 | 72 | 1 | 5.5045 | 5.505 | 0.000 | (0;000) | ✗ | 15/02/17 |
K2S3 | COD | 1527162 | Cmc2_1 (36) | ✗ | 10 | 72 | 1 | 1.3067 | 1.366 | 0.000 | (0;000) | ✗ | 29/03/17 |
CsZn4As3 | ICSD | 262030 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.0 | 0.040 | 0.073 | (0;001) | ✗ | 07/04/17 |
H2CO | ICSD | 151343 | R3c (161) | ✗ | 24 | 72 | 3 | 6.4755 | 6.532 | 0.000 | (0;000) | ✗ | 04/08/17 |
ZrGePt | COD | 8103046 | Pnma (62) | ✔ | 12 | 72 | 3 | 0.0 | 0.038 | 0.071 | (1;000) | ✗ | 02/02/17 |
GaCuSe2 | ICSD | 42097 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.1417 | 0.142 | 0.000 | (0;000) | ✔ | 15/02/17 |
Cs | ICSD | 57192 | P4_2/mbc (135) | ✔ | 8 | 72 | 3 | 0.0 | 0.013 | 0.468 | (0;000) | ✗ | 02/02/17 |
H4C3N4 | COD | 2012828 | P-1 (2) | ✔ | 22 | 72 | 1 | 2.1696 | 2.279 | 0.000 | (0;000) | ✗ | 04/08/17 |
Pd(SCl3)2 | ICSD | 39434 | P-1 (2) | ✔ | 9 | 72 | 1 | 1.4965 | 1.500 | 0.000 | (0;000) | ✗ | 02/02/17 |
Zr3Te | ICSD | 81539 | I-4 (82) | ✗ | 16 | 72 | 3 | 0.0 | 0.005 | 0.568 | ? | ✗ | 29/03/17 |
Rb2Pt3S4 | ICSD | 26267 | Fmmm (69) | ✔ | 9 | 72 | 1 | 0.9917 | 1.169 | 0.000 | (0;000) | ✗ | 02/02/17 |
SeO2 | ICSD | 99464 | Pmc2_1 (26) | ✗ | 12 | 72 | 2 | 3.521 | 3.788 | 0.000 | (0;000) | ✗ | 15/02/17 |
LiAl | ICSD | 262064 | Cmce (64) | ✔ | 24 | 72 | 2 | 0.0 | 0.004 | 0.581 | (0;000) | ✗ | 04/08/17 |
ZnCu2SnTe4 | ICSD | 656156 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.0 | 0.006 | 0.078 | (1;000) | ✔ | 22/03/17 |
Cs | COD | 9011642 | Cmce (64) | ✔ | 8 | 72 | 3 | 0.0 | 0.010 | 0.573 | (1;110) | ✗ | 02/02/17 |
CN | COD | 2310460 | Pbca (61) | ✔ | 16 | 72 | 1 | 5.2499 | 5.250 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnS | COD | 9013409 | P6_3mc (186) | ✗ | 8 | 72 | 3 | 2.1423 | 2.142 | 0.000 | (0;000) | ✗ | 15/02/17 |
LiAlS2 | ICSD | 608360 | Pna2_1 (33) | ✗ | 16 | 72 | 3 | 3.9378 | 3.938 | 0.000 | (0;000) | ✗ | 16/03/17 |
Cs2Te3 | ICSD | 53245 | Cmc2_1 (36) | ✗ | 10 | 72 | 1 | 0.2695 | 0.326 | 0.000 | (0;000) | ✔ | 22/03/17 |
CsCd4As3 | ICSD | 262029 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.2198 | 0.220 | 0.000 | (0;000) | ✗ | 07/04/17 |
MgIn2 | ICSD | 423608 | Fd-3m (227) | ✔ | 6 | 72 | 3 | 0.0 | 0.000 | 0.566 | (0;000) | ✗ | 02/02/17 |
InCuTe2 | ICSD | 73352 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.010 | 0.012 | (0;000) | ✔ | 22/03/17 |
Ni(BW)2 | ICSD | 615069 | Immm (71) | ✔ | 5 | 72 | 3 | 0.0 | 0.116 | 0.039 | (1;000) | ✗ | 11/04/17 |
K | ICSD | 157573 | I4/mcm (140) | ✔ | 8 | 72 | 3 | 0.0 | 0.003 | 0.840 | (0;111) | ✗ | 02/02/17 |
AgI | COD | 2105342 | P6_3mc (186) | ✗ | 8 | 72 | 2 | 0.7513 | 0.751 | 0.000 | (0;000) | ✗ | 16/03/17 |
Cu2SnHgTe4 | ICSD | 656158 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.0 | 0.009 | 0.048 | (1;000) | ✔ | 22/03/17 |
ZnCu2SnS4 | ICSD | 262388 | I-4 (82) | ✗ | 8 | 72 | 3 | 0.2908 | 0.291 | 0.000 | (0;000) | ✔ | 15/02/17 |
AlF3 | COD | 1010414 | P321 (150) | ✗ | 12 | 72 | 2 | 0.6871 | 0.806 | 0.000 | (0;000) | ✗ | 15/02/17 |
ZnAg2SnS4 | ICSD | 605734 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.0 | 0.021 | 0.007 | (1;000) | ✔ | 16/03/17 |
KAs4ClO6 | ICSD | 65205 | P6/mmm (191) | ✔ | 12 | 72 | 1 | 3.35 | 3.425 | 0.000 | (0;000) | ✗ | 30/01/17 |
GaAgS2 | ICSD | 156126 | I-42d (122) | ✗ | 8 | 72 | 3 | 1.1606 | 1.161 | 0.000 | (0;000) | ✗ | 07/10/16 |
GaAgSe2 | ICSD | 156127 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.4613 | 0.465 | 0.000 | (0;000) | ✔ | 07/10/16 |
GaAgTe2 | ICSD | 156128 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.1402 | 0.140 | 0.000 | (0;000) | ✔ | 07/10/16 |
InAgS2 | ICSD | 156129 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.4129 | 0.413 | 0.000 | (0;000) | ✔ | 07/10/16 |
InAgSe2 | ICSD | 28751 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.034 | 0.023 | (1;000) | ✔ | 07/10/16 |
InAgTe2 | ICSD | 104476 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.1067 | 0.107 | 0.000 | (0;000) | ✔ | 07/10/16 |
YMgAl | ICSD | 160908 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.002 | 0.313 | (0;000) | ✔ | 28/10/16 |
YAlNi | ICSD | 160935 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.000 | 0.901 | ? | ✗ | 06/10/16 |
Mg2P2O7 | COD | 1530318 | C2/m (12) | ✔ | 11 | 72 | 3 | 4.5221 | 4.522 | 0.000 | (0;000) | ✗ | 27/01/17 |
YAlNi | ICSD | 608947 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.000 | 0.898 | ? | ✗ | 06/10/16 |
YAlNi | ICSD | 608957 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.000 | 0.898 | ? | ✗ | 06/10/16 |
CdSnAs2 | ICSD | 16737 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.046 | 0.008 | (1;000) | ✔ | 07/10/16 |
ZnSnAs2 | ICSD | 18203 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.013 | 0.004 | (1;000) | ✔ | 07/10/16 |
YAlPd | ICSD | 156923 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.000 | 0.900 | ? | ✗ | 06/10/16 |